General Information of the Compound
| Compound ID |
CP0139744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(4-pyrimidin-2-ylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N6OS
|
||||||||||||||||||
| Molecular Weight |
472.618
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-c5ncccn5)C4)CC3)nc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N6OS/c1-19-14-32-16-22(29-25(32)34-19)13-23(33)31-11-7-26(8-12-31)17-30(18-26)15-20-3-5-21(6-4-20)24-27-9-2-10-28-24/h2-6,9-10,14,16H,7-8,11-13,15,17-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBNZRGKDARJEKD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound